SCHEMBL4948073

SCHEMBL4948073

CCOC(=O)CN1CCC2(C=C(c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.49
KCNH2 Q12809 17/20 0.49
CYP2D6 P10635 12/20 0.41
OPRK1 P41145 4/20 0.41
OPRM1 P35372 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4274157 0.90 OPRD1 (0.49) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4284752 0.90 OPRD1 (0.59) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4277324 0.84 OPRD1 (0.58) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4283345 0.83 OPRD1 (0.57) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4277761 0.83 OPRD1 (0.57) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4424814 0.81 OPRD1 (0.58) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4270108 0.78 OPRD1 (0.59) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL4281185 0.77 OPRD1 (0.46) OPRD1KCNH2OPRK1
SCHEMBL4277335 0.74 OPRD1 (0.55) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4276817 0.74 OPRD1 (0.61) OPRD1KCNH2CYP2D6OPRK1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232160-B1 SPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDINE)DERIVATES AS GLYCINE TRANSPORT INHIBITORS ORGANON NV (NL) 2008-06-18 EP disclosed